3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine

C18H25N3O2 — CID 70282589

IUPAC3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine
SMILESCCc1nc(-c2ccc(OC)nc2OC)cn1C(CC)C1CC1
InChIInChI=1S/C18H25N3O2/c1-5-15(12-7-8-12)21-11-14(19-16(21)6-2)13-9-10-17(22-3)20-18(13)23-4/h9-12,15H,5-8H2,1-4H3
InChIKeyIOARPBUHRHISTR-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.89
Rot. Bonds7

About 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine

3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine (PubChem CID 70282589) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine.

Molecular Properties

Compound Name3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine
PubChem CID70282589
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine
SMILESCCc1nc(-c2ccc(OC)nc2OC)cn1C(CC)C1CC1
InChIInChI=1S/C18H25N3O2/c1-5-15(12-7-8-12)21-11-14(19-16(21)6-2)13-9-10-17(22-3)20-18(13)23-4/h9-12,15H,5-8H2,1-4H3
InChIKeyIOARPBUHRHISTR-UHFFFAOYSA-N
XLogP3.89
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclopropylpropyl)-4-(2,6-dimethoxy-3-pyridinyl)-2-ethylimidazo[4,5-c]pyridine
CID 18001340
2-(2,6-dimethoxy-3-pyridinyl)-3,6-diethyl-5-pentan-3-yloxypyrazine
CID 10361116
3-(dicyclopropylmethyl)-5-(2,6-dimethoxy-3-pyridinyl)pyrazin-2-amine
CID 22249157
3-(2,6-dimethoxy-3-pyridinyl)-6-methylpyridazine
CID 70870882
2,6-dimethoxy-3-pyridin-2-ylpyridine
CID 67608577
1-(1-cyclobutylpropyl)-5-(6-methoxy-2-methyl-3-pyridinyl)-3-methylpyrido[3,4-b]pyrazin-2-one
CID 22052068
3-(2,6-dimethoxy-3-pyridinyl)-2,5-dimethylpyrazine
CID 102275655
6-(2,6-dimethoxy-3-pyridinyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
CID 68912851
5-(2-ethyl-6-methoxy-3-pyridinyl)-3,6-dimethyl-1-propan-2-ylpyrrolo[3,2-b]pyridine
CID 58702800
2,6-dimethoxy-3-(3-methylimidazol-4-yl)pyridine
CID 175944759
3-chloro-2-ethyl-6-methoxypyridine
CID 123175687
2-(chloromethyl)-3-(dicyclopropylmethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322851

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine?
The IUPAC name of 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine (CID 70282589) is 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine.
What is the SMILES notation for 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine?
The canonical SMILES for 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine is CCc1nc(-c2ccc(OC)nc2OC)cn1C(CC)C1CC1.
What is the InChIKey of 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine?
The InChIKey is IOARPBUHRHISTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-5-15(12-7-8-12)21-11-14(19-16(21)6-2)13-9-10-17(22-3)20-18(13)23-4/h9-12,15H,5-8H2,1-4H3.
What are the key properties of 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine?
3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine has a molecular weight of 315.42 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-cyclopropylpropyl)-2-ethylimidazol-4-yl]-2,6-dimethoxypyridine is sourced from PubChem (CID 70282589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).